Basic information
- CAS
457096-09-2- Standard SMILES
CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)cc1Cl- InChIKey
NRQGOIMCHGMMFY-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3S
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 339.0363741
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea
- IUPAC
- 3-(2,4-dichlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea
Names & synonyms
457096-09-23-(2,4-dichlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thioureaN'-(2,4-dichlorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]thioureaN'-(2,4-Dichlorophenyl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]thioureaTimTec1_006188Oprea1_843689MLS000672469CHEMBL1497625DTXSID601324306HMS1551J06HMS2734B21STK773202
Show more names
AKOS001049033SMR000296077ST4092173Z458273133-(2,4-dichlorophenyl)-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea
Database identifiers
- CAS
457096-09-2- PubChem CID
- 714341
- DTXSID
DTXSID601324306- ChEMBL
CHEMBL1497625
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubility46.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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